NT0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N09 | sing | 1.39Å | 1.42Å | |
| C10 | N11 | doub | 1.33Å | 1.26Å | Aromatic |
| C10 | C21 | sing | 1.39Å | 1.50Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.33Å | Aromatic |
| C12 | N11 | sing | 1.32Å | 1.30Å | Aromatic |
| C13 | N20 | sing | 1.33Å | 1.35Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.35Å | Aromatic |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | N09 | sing | 1.35Å | 1.44Å | |
| C03 | C04 | sing | 1.51Å | 1.46Å | |
| C04 | C05 | doub | 1.35Å | 1.36Å | Aromatic |
| C04 | O08 | sing | 1.34Å | 1.28Å | Aromatic |
| C05 | C06 | sing | 1.41Å | 1.37Å | Aromatic |
| C06 | C07 | doub | 1.35Å | 1.35Å | Aromatic |
| C07 | O08 | sing | 1.34Å | 1.27Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.32Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.36Å | Aromatic |
| N20 | C21 | doub | 1.32Å | 1.27Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | sing | 1.51Å | 1.46Å | |
| C23 | C24 | doub | 1.38Å | 1.35Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.30Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.34Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.30Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.34Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.55Å | |
| C02 | C03 | sing | 1.51Å | 1.57Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C07 | H7 | sing | 1.08Å | 1.08Å | |
| N09 | H8 | sing | 0.97Å | 1.00Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N09 | C10 | N11 | 113.7° | 119.9° |
| N09 | C10 | C21 | 130.8° | 120.0° |
| C10 | N09 | C02 | 128.7° | 120.0° |
| C10 | N09 | H8 | 115.7° | 120.0° |
| N11 | C10 | C21 | 115.2° | 120.0° |
| C10 | N11 | C12 | 123.6° | 120.0° |
| C10 | C21 | N20 | 117.6° | 120.1° |
| C10 | C21 | C22 | 136.9° | 119.9° |
| C13 | C12 | N11 | 124.2° | 119.9° |
| C12 | C13 | N20 | 114.6° | 120.0° |
| C12 | C13 | C14 | 121.9° | 120.0° |
| C13 | C12 | H1 | 117.9° | 120.1° |
| N11 | C12 | H1 | 117.9° | 120.0° |
| C13 | N20 | C21 | 124.8° | 120.0° |
| N20 | C13 | C14 | 123.5° | 120.0° |
| C15 | C14 | C19 | 114.2° | 119.8° |
| C14 | C15 | C16 | 125.5° | 119.9° |
| C15 | C14 | C13 | 123.4° | 120.1° |
| C14 | C15 | H2 | 117.3° | 120.1° |
| C14 | C19 | C18 | 121.1° | 119.8° |
| C19 | C14 | C13 | 122.3° | 120.1° |
| C14 | C19 | H12 | 119.5° | 120.1° |
| C15 | C16 | C17 | 118.9° | 120.1° |
| C16 | C15 | H2 | 117.3° | 120.0° |
| C15 | C16 | H9 | 120.6° | 119.9° |
| O01 | C02 | N09 | 114.8° | 120.0° |
| O01 | C02 | C03 | 113.4° | 120.1° |
| N09 | C02 | C03 | 131.5° | 120.0° |
| C02 | N09 | H8 | 115.6° | 120.0° |
| C03 | C04 | C05 | 130.5° | 125.8° |
| C03 | C04 | O08 | 121.9° | 125.8° |
| C04 | C03 | C02 | 122.4° | 109.5° |
| C04 | C03 | H3 | 106.1° | 109.5° |
| C04 | C03 | H4 | 106.2° | 109.4° |
| C05 | C04 | O08 | 107.5° | 108.4° |
| C04 | C05 | C06 | 107.1° | 106.8° |
| C04 | C05 | H5 | 126.5° | 126.6° |
| C04 | O08 | C07 | 111.0° | 109.5° |
| C05 | C06 | C07 | 103.9° | 106.9° |
| C06 | C05 | H5 | 126.5° | 126.6° |
| C05 | C06 | H6 | 128.0° | 126.6° |
| C06 | C07 | O08 | 110.5° | 108.4° |
| C07 | C06 | H6 | 128.1° | 126.5° |
| C06 | C07 | H7 | 124.8° | 125.8° |
| O08 | C07 | H7 | 124.7° | 125.8° |
| C16 | C17 | C18 | 119.0° | 120.3° |
| C17 | C16 | H9 | 120.6° | 120.0° |
| C16 | C17 | H10 | 120.5° | 119.8° |
| C17 | C18 | C19 | 121.3° | 120.2° |
| C18 | C17 | H10 | 120.5° | 119.9° |
| C17 | C18 | H11 | 119.4° | 119.9° |
| C19 | C18 | H11 | 119.3° | 119.9° |
| C18 | C19 | H12 | 119.4° | 120.1° |
| N20 | C21 | C22 | 105.4° | 120.0° |
| C21 | C22 | C23 | 129.6° | 109.5° |
| C21 | C22 | H13 | 104.2° | 109.5° |
| C21 | C22 | H14 | 104.2° | 109.5° |
| C22 | C23 | C24 | 120.8° | 120.0° |
| C22 | C23 | C28 | 123.2° | 120.0° |
| C23 | C22 | H13 | 104.2° | 109.4° |
| C23 | C22 | H14 | 104.2° | 109.5° |
| C24 | C23 | C28 | 115.7° | 120.0° |
| C23 | C24 | C25 | 122.1° | 120.0° |
| C23 | C24 | H15 | 118.9° | 120.0° |
| C23 | C28 | C27 | 123.1° | 120.0° |
| C23 | C28 | H19 | 118.4° | 120.0° |
| C24 | C25 | C26 | 120.2° | 120.1° |
| C25 | C24 | H15 | 118.9° | 120.0° |
| C24 | C25 | H16 | 119.9° | 120.0° |
| C25 | C26 | C27 | 118.6° | 119.9° |
| C26 | C25 | H16 | 119.9° | 119.9° |
| C25 | C26 | H17 | 120.7° | 120.1° |
| C26 | C27 | C28 | 120.1° | 120.0° |
| C27 | C26 | H17 | 120.7° | 120.0° |
| C26 | C27 | H18 | 119.9° | 120.0° |
| C28 | C27 | H18 | 120.0° | 120.0° |
| C27 | C28 | H19 | 118.5° | 120.0° |
| C02 | C03 | H3 | 106.2° | 109.5° |
| C02 | C03 | H4 | 106.2° | 109.5° |
| H3 | C03 | H4 | 109.5° | 109.4° |
| H13 | C22 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N09 | C10 | N11 | C21 | 174.6° | 179.7° |
| N09 | C10 | N11 | C12 | 175.0° | 180.0° |
| C10 | N09 | C02 | O01 | 8.4° | 0.0° |
| C10 | N09 | C02 | H8 | 180.0° | 180.0° |
| N09 | C10 | C21 | N20 | 175.4° | 179.9° |
| N09 | C10 | C21 | C22 | 9.6° | 0.0° |
| C10 | N09 | C02 | C03 | 178.6° | 180.0° |
| C10 | N11 | C12 | C13 | 0.7° | 0.0° |
| N11 | C10 | N09 | C02 | 22.6° | 0.0° |
| N11 | C10 | C21 | N20 | 1.9° | 0.2° |
| N11 | C10 | C21 | C22 | 176.9° | 179.7° |
| C10 | N11 | C12 | H1 | 179.3° | 179.7° |
| N11 | C10 | N09 | H8 | 157.4° | 180.0° |
| C21 | C10 | N11 | C12 | 0.4° | 0.3° |
| C10 | C21 | N20 | C13 | 2.5° | 0.0° |
| C21 | C10 | N09 | C02 | 151.0° | 179.7° |
| C10 | C21 | N20 | C22 | 176.4° | 180.0° |
| C10 | C21 | C22 | C23 | 2.1° | 90.0° |
| C21 | C10 | N09 | H8 | 29.0° | 0.3° |
| C10 | C21 | C22 | H13 | 120.5° | 150.0° |
| C10 | C21 | C22 | H14 | 124.7° | 30.0° |
| C13 | C12 | N11 | H1 | 180.0° | 179.7° |
| C12 | C13 | N20 | C14 | 178.6° | 179.8° |
| C12 | C13 | C14 | C15 | 175.5° | 5.0° |
| C12 | C13 | C14 | C19 | 7.2° | 175.2° |
| C12 | C13 | N20 | C21 | 1.4° | 0.3° |
| N11 | C12 | C13 | N20 | 0.3° | 0.2° |
| N11 | C12 | C13 | C14 | 178.9° | 180.0° |
| N20 | C13 | C14 | C15 | 6.0° | 174.7° |
| N20 | C13 | C14 | C19 | 171.3° | 5.0° |
| C13 | N20 | C21 | C22 | 178.9° | 180.0° |
| N20 | C13 | C12 | H1 | 179.7° | 180.0° |
| C15 | C14 | C19 | C13 | 177.5° | 179.7° |
| C14 | C15 | C16 | H2 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.7° | 0.0° |
| C15 | C14 | C19 | C18 | 1.4° | 0.5° |
| C14 | C15 | C16 | H9 | 178.3° | 180.0° |
| C15 | C14 | C19 | H12 | 178.6° | 179.7° |
| C19 | C14 | C15 | C16 | 2.1° | 0.3° |
| C14 | C19 | C18 | C17 | 0.4° | 0.5° |
| C14 | C19 | C18 | H12 | 180.0° | 179.7° |
| C19 | C14 | C15 | H2 | 177.9° | 179.8° |
| C14 | C19 | C18 | H11 | 179.6° | 179.7° |
| C15 | C16 | C17 | H9 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.5° | 0.0° |
| C16 | C15 | C14 | C13 | 179.6° | 180.0° |
| C15 | C16 | C17 | H10 | 179.5° | 180.0° |
| O01 | C02 | N09 | C03 | 172.9° | 180.0° |
| O01 | C02 | C03 | C04 | 156.4° | 0.0° |
| O01 | C02 | C03 | H3 | 81.8° | 120.0° |
| O01 | C02 | C03 | H4 | 34.6° | 120.0° |
| O01 | C02 | N09 | H8 | 171.6° | 180.0° |
| N09 | C02 | C03 | C04 | 30.6° | 180.0° |
| N09 | C02 | C03 | H3 | 91.2° | 60.0° |
| N09 | C02 | C03 | H4 | 152.4° | 60.0° |
| C03 | C04 | C05 | O08 | 178.5° | 179.8° |
| C03 | C04 | C05 | C06 | 179.9° | 180.0° |
| C03 | C04 | O08 | C07 | 179.0° | 179.8° |
| C04 | C03 | C02 | H3 | 121.8° | 120.0° |
| C04 | C03 | C02 | H4 | 121.8° | 120.0° |
| C04 | C03 | H3 | H4 | 114.2° | 119.9° |
| C03 | C04 | C05 | H5 | 0.1° | 0.0° |
| C04 | C05 | C06 | H5 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.0° | 0.0° |
| C05 | C04 | O08 | C07 | 2.3° | 0.4° |
| C05 | C04 | C03 | C02 | 104.5° | 90.0° |
| C05 | C04 | C03 | H3 | 133.7° | 30.1° |
| C05 | C04 | C03 | H4 | 17.3° | 150.0° |
| C04 | C05 | C06 | H6 | 180.0° | 179.9° |
| O08 | C04 | C05 | C06 | 1.4° | 0.2° |
| C04 | O08 | C07 | C06 | 2.3° | 0.4° |
| O08 | C04 | C03 | C02 | 77.2° | 90.3° |
| O08 | C04 | C03 | H3 | 44.6° | 149.7° |
| O08 | C04 | C03 | H4 | 161.0° | 29.8° |
| O08 | C04 | C05 | H5 | 178.6° | 179.8° |
| C04 | O08 | C07 | H7 | 177.6° | 179.8° |
| C05 | C06 | C07 | H6 | 180.0° | 179.9° |
| C05 | C06 | C07 | O08 | 1.4° | 0.3° |
| C05 | C06 | C07 | H7 | 178.6° | 179.9° |
| C06 | C07 | O08 | H7 | 180.0° | 179.8° |
| C07 | C06 | C05 | H5 | 180.0° | 180.0° |
| O08 | C07 | C06 | H6 | 178.6° | 179.8° |
| C16 | C17 | C18 | H10 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.3° |
| C17 | C16 | C15 | H2 | 178.3° | 180.0° |
| C16 | C17 | C18 | H11 | 179.9° | 180.0° |
| C17 | C18 | C19 | H11 | 180.0° | 179.7° |
| C18 | C17 | C16 | H9 | 179.5° | 180.0° |
| C17 | C18 | C19 | H12 | 179.6° | 179.7° |
| C18 | C19 | C14 | C13 | 178.9° | 179.7° |
| C19 | C18 | C17 | H10 | 179.9° | 179.7° |
| N20 | C21 | C22 | C23 | 177.4° | 90.0° |
| C21 | N20 | C13 | C14 | 177.1° | 180.0° |
| N20 | C21 | C22 | H13 | 54.8° | 30.0° |
| N20 | C21 | C22 | H14 | 60.0° | 150.0° |
| C21 | C22 | C23 | H13 | 122.6° | 120.0° |
| C21 | C22 | C23 | H14 | 122.6° | 120.1° |
| C21 | C22 | C23 | C24 | 103.0° | 89.9° |
| C21 | C22 | C23 | C28 | 82.5° | 90.2° |
| C21 | C22 | H13 | H14 | 111.0° | 120.0° |
| C22 | C23 | C24 | C28 | 174.9° | 179.8° |
| C22 | C23 | C24 | C25 | 179.6° | 180.0° |
| C22 | C23 | C28 | C27 | 179.9° | 179.8° |
| C23 | C22 | H13 | H14 | 111.0° | 120.0° |
| C22 | C23 | C24 | H15 | 0.4° | 0.1° |
| C22 | C23 | C28 | H19 | 0.1° | 0.1° |
| C23 | C24 | C25 | H15 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 2.8° | 0.0° |
| C24 | C23 | C28 | C27 | 5.2° | 0.4° |
| C24 | C23 | C22 | H13 | 134.4° | 30.1° |
| C24 | C23 | C22 | H14 | 19.6° | 150.0° |
| C23 | C24 | C25 | H16 | 177.2° | 180.0° |
| C24 | C23 | C28 | H19 | 174.8° | 179.7° |
| C28 | C23 | C24 | C25 | 4.8° | 0.2° |
| C23 | C28 | C27 | C26 | 3.6° | 0.3° |
| C23 | C28 | C27 | H19 | 180.0° | 179.9° |
| C28 | C23 | C22 | H13 | 40.1° | 149.8° |
| C28 | C23 | C22 | H14 | 154.9° | 29.8° |
| C28 | C23 | C24 | H15 | 175.2° | 179.8° |
| C23 | C28 | C27 | H18 | 176.3° | 179.8° |
| C24 | C25 | C26 | H16 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.9° | 0.0° |
| C24 | C25 | C26 | H17 | 179.1° | 179.9° |
| C25 | C26 | C27 | H17 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 1.2° | 0.1° |
| C26 | C25 | C24 | H15 | 177.2° | 180.0° |
| C25 | C26 | C27 | H18 | 178.7° | 180.0° |
| C26 | C27 | C28 | H18 | 180.0° | 179.9° |
| C27 | C26 | C25 | H16 | 179.1° | 180.0° |
| C26 | C27 | C28 | H19 | 176.4° | 179.8° |
| C28 | C27 | C26 | H17 | 178.8° | 179.9° |
| C14 | C13 | C12 | H1 | 1.1° | 0.3° |
| C13 | C14 | C15 | H2 | 0.4° | 0.1° |
| C13 | C14 | C19 | H12 | 1.1° | 0.0° |
| C02 | C03 | H3 | H4 | 114.2° | 120.0° |
| C03 | C02 | N09 | H8 | 1.4° | 0.0° |
| H2 | C15 | C16 | H9 | 1.7° | 0.1° |
| H5 | C05 | C06 | H6 | 0.0° | 0.1° |
| H6 | C06 | C07 | H7 | 1.4° | 0.0° |
| H9 | C16 | C17 | H10 | 0.5° | 0.1° |
| H10 | C17 | C18 | H11 | 0.1° | 0.0° |
| H11 | C18 | C19 | H12 | 0.4° | 0.0° |
| H15 | C24 | C25 | H16 | 2.8° | 0.1° |
| H16 | C25 | C26 | H17 | 0.9° | 0.0° |
| H17 | C26 | C27 | H18 | 1.3° | 0.0° |
| H18 | C27 | C28 | H19 | 3.6° | 0.1° |
